![Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate structure](/static/products/6045/60458-81-3.webp)
Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate
TL;DR: Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate (CAS 60458-81-3) is a chemical compound with molecular formula C19H24N4O3S2 and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(4-butoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetate
Also Known As: Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate, Methyl [(4-{[(4-butoxyphenyl)carbamothioyl]amino}-6-methylpyrimidin-2-yl)sulfanyl]acetate, methyl 2-[4-[(4-butoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetate, methyl 2-[4-({[(4-butoxyphenyl)amino]thioxomethyl}amino)-6-methylpyrimidin-2-y lthio]acetate
| Molecular Formula | C19H24N4O3S2 |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 4.03792 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.129 |
| Heavy Atoms | 28 |
| Complexity | 800.2658 |
Chemical Identifiers
| CAS Number | 60458-81-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SCC(=O)OC |
Product Overview
Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate (CAS 60458-81-3), with molecular formula C19H24N4O3S2 and molecular weight 420.13 g/mol. IUPAC: methyl 2-[4-[(4-butoxyphenyl)carbamothioylamino]-6-methylpyrimidin-2-yl]sulfanylacetate.
Chemical Property Profile of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate
Property Insights of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate
The XLogP value of 4.03792 indicates that Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate. Following Lipinski's Rule of Five, Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate?
The CAS number of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate is 60458-81-3.
What is the molecular formula of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate?
The molecular formula of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate is C19H24N4O3S2.
What is the molecular weight of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate?
The molecular weight of Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate is 420.13 g/mol.
Where can I buy Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate?
You can request a quote for Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[4-[[[(4-butoxyphenyl)amino]thioxomethyl]amino]-6-methyl-2-pyrimidinyl]thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.